(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine

C8H13F3N2 — CID 170386989

IUPAC(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
SMILESC/N=C/C(=C(\N)C(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3N2/c1-5(2)6(4-13-3)7(12)8(9,10)11/h4-5H,12H2,1-3H3/b7-6+,13-4+
InChIKeyBLOHBALYELVXCX-AUZHDWFHSA-N
MW194.20 g/mol
LogP2.12
Rot. Bonds2

About (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine

(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine (PubChem CID 170386989) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
PubChem CID170386989
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
SMILESC/N=C/C(=C(\N)C(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3N2/c1-5(2)6(4-13-3)7(12)8(9,10)11/h4-5H,12H2,1-3H3/b7-6+,13-4+
InChIKeyBLOHBALYELVXCX-AUZHDWFHSA-N
XLogP2.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
(E)-1,1,1-trifluoro-4-methyl-2-[[(Z)-pent-2-en-3-yl]iminomethyl]pent-2-en-3-amine
CID 138700812
(Z)-5,5,5-trifluoro-3-methanimidoylpent-2-en-2-amine
CID 145695983
(2Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)penta-2,4-dien-2-amine
CID 163379957
N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
CID 166907334
(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
CID 167447412
(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
CID 170414993
(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine
CID 170635933
1,1,1-Trifluoro-3-methyl-4-propyliminopent-2-en-2-amine
CID 173816033
1,1-Difluoro-3-methanimidoylpent-2-en-2-amine
CID 173845776
(5S)-5,6-difluoro-1-imino-2,5-dimethylhex-2-en-3-amine
CID 173908680
1,1,1-Trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
CID 174036197

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine (CID 170386989) is (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine is C/N=C/C(=C(\N)C(F)(F)F)C(C)C.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
The InChIKey is BLOHBALYELVXCX-AUZHDWFHSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5(2)6(4-13-3)7(12)8(9,10)11/h4-5H,12H2,1-3H3/b7-6+,13-4+.
What are the key properties of (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine has a molecular weight of 194.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine is sourced from PubChem (CID 170386989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).